>compound Chalcone_Chalcone
#instrument UPLC Q-Tof Premier, Waters
>formula C15H12O
#smiles O=C(C=Cc(c2)cccc2)c(c1)cccc1
#RECORD LC-ESI-QTOF_train_data/PR100042.txt
>charge 1
>ionization [M+H]+
>parentmass 209.09661

>collision 5-60
77.0412 801.3
103.0566 1934.0
105.0363 654.3
131.051 1987.0
209.0966 1057.0

